2-benzyl-7-[butyl(methyl)amino]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
2-benzyl-7-[butyl(methyl)amino]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-benzyl-7-[butyl(methyl)amino]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | CM4206-7661 |
| Compound Name: | 2-benzyl-7-[butyl(methyl)amino]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 328.46 |
| Molecular Formula: | C19 H28 N4 O |
| Smiles: | CCCCN(C)C1CCC2=NN(Cc3ccccc3)C(N2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3081 |
| logD: | -0.311 |
| logSw: | -3.4971 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.361 |
| InChI Key: | DEODHQQQTHACNM-QGZVFWFLSA-N |